CAS No.26547-51-3,8-PHENYLOCTANOIC ACID Suppliers

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Basic Information

Molecular Structure:
CAS No.:	26547-51-3
Name:	8-PHENYLOCTANOIC ACID
Article Data:	2

Formula:	C₁₄H₂₀O₂
Molecular Weight:	220.312
Synonyms:	w-Phenyloctanoic acid;8-Phenyloctanoic acid;8-Phenylcaprylic acid;Octanoicacid, 8-phenyl- (6CI,8CI);
EINECS:	-0
Density:	1.02 g/cm³
Melting Point:	27 °C
Boiling Point:	369.9 °C at 760 mmHg
Flash Point:	266.9 °C
Solubility:	Insoluble in water.
Appearance:	liquid
Hazard Symbols:	Xi
Risk Codes:	R36/38
PSA:	37.30000
LogP:	3.65430

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Specification

This chemical is called Benzeneoctanoic acid, and its systematic name is 8-phenyloctanoic acid. With the molecular formula of C₁₄H₂₀O₂, its CAS registry number is 26547-51-3. Additionally, this chemical should be sealed in the cool and dry plcace, away from oxides.

Other characteristics of the Benzeneoctanoic acid can be summarised as followings: (1)ACD/LogP: 4.29; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.5; (4)ACD/LogD (pH 7.4): 1.7; (5)ACD/BCF (pH 5.5): 171.89; (6)ACD/BCF (pH 7.4): 2.76; (7)ACD/KOC (pH 5.5): 821.64; (8)ACD/KOC (pH 7.4): 13.17; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 8; (12)Polar Surface Area: 26.3 Å²; (13)Index of Refraction: 1.515; (14)Molar Refractivity: 65.16 cm³; (15)Molar Volume: 215.9 cm³; (16)Polarizability: 25.83×10^-24cm³; (17)Surface Tension: 40.4 dyne/cm; (18)Density: 1.02 g/cm³; (19)Flash Point: 266.9 °C; (20)Enthalpy of Vaporization: 65.07 kJ/mol; (21)Boiling Point: 369.9 °C at 760 mmHg; (22)Vapour Pressure: 3.98E-06 mmHg at 25°C.

Uses of this chemical: The Benzeneoctanoic acid could react with N-tetradecanoyl-O-(3,4,6-tri-O-acetyl-2-amino-2-deoxy-β-D-glucopyranosyl)-L-homoserine benzyl ester, and obtain the N-tetradecanoyl-O-[3,4,6-tri-O-acetyl-2-deoxy-2-(8-phenyloctanoylamino)-β-D-glucopyranosyl]-L-homoserine benzyl ester. This reaction needs the reagent of diethylphosphorocyanidate, Et₃N, and the solvent of dimethylformamide. The yield is 64 %. In addition, this reaction should be taken for 16 hours.

You can still convert the following datas into molecular structure:
1.SMILES: O=C(O)CCCCCCCc1ccccc1
2.InChI: InChI=1/C14H20O2/c15-14(16)12-8-3-1-2-5-9-13-10-6-4-7-11-13/h4,6-7,10-11H,1-3,5,8-9,12H2,(H,15,16)
3.InChIKey: VZECIAZMSHBQOC-UHFFFAOYAM